2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C18H16N8O — CID 78863578

IUPAC2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H16N8O/c27-18(9-14-3-7-17(8-4-14)26-13-20-23-24-26)22-16-5-1-15(2-6-16)10-25-12-19-11-21-25/h1-8,11-13H,9-10H2,(H,22,27)
InChIKeyDCVHJNFCTIADGF-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.48
Rot. Bonds6

About 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 78863578) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID78863578
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H16N8O/c27-18(9-14-3-7-17(8-4-14)26-13-20-23-24-26)22-16-5-1-15(2-6-16)10-25-12-19-11-21-25/h1-8,11-13H,9-10H2,(H,22,27)
InChIKeyDCVHJNFCTIADGF-UHFFFAOYSA-N
XLogP1.48
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55633392
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 78863578) is 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is DCVHJNFCTIADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c27-18(9-14-3-7-17(8-4-14)26-13-20-23-24-26)22-16-5-1-15(2-6-16)10-25-12-19-11-21-25/h1-8,11-13H,9-10H2,(H,22,27).
What are the key properties of 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 78863578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).